trifluoro-[(4-phenoxyphenyl)methyl]boranuide

C13H11BF3O- — CID 171374152

IUPACtrifluoro-[(4-phenoxyphenyl)methyl]boranuide
SMILESF[B-](F)(F)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H11BF3O/c15-14(16,17)10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2/q-1
InChIKeyBCQIWAHBIDJXSQ-UHFFFAOYSA-N
MW251.04 g/mol
LogP4.41
Rot. Bonds4

About trifluoro-[(4-phenoxyphenyl)methyl]boranuide

trifluoro-[(4-phenoxyphenyl)methyl]boranuide (PubChem CID 171374152) has the molecular formula C13H11BF3O- and a molecular weight of 251.04 g/mol. Its IUPAC name is trifluoro-[(4-phenoxyphenyl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(4-phenoxyphenyl)methyl]boranuide
PubChem CID171374152
Molecular FormulaC13H11BF3O-
Molecular Weight251.04 g/mol
Exact Mass251.09
IUPAC Nametrifluoro-[(4-phenoxyphenyl)methyl]boranuide
SMILESF[B-](F)(F)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H11BF3O/c15-14(16,17)10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2/q-1
InChIKeyBCQIWAHBIDJXSQ-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide
CID 171374151
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
1-phenoxy-4-prop-2-ynylbenzene
CID 23267247
1-phenoxy-4-(3,3,3-trifluoropropyl)benzene
CID 13188955
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
trifluoro-[(3-phenoxyphenoxy)methyl]boranuide
CID 63702596
2-(4-phenoxyphenyl)ethane-1,1-diol
CID 20703819
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
1-[(Z)-pent-3-enyl]-4-phenoxybenzene
CID 83939005

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(4-phenoxyphenyl)methyl]boranuide?
The IUPAC name of trifluoro-[(4-phenoxyphenyl)methyl]boranuide (CID 171374152) is trifluoro-[(4-phenoxyphenyl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(4-phenoxyphenyl)methyl]boranuide?
The canonical SMILES for trifluoro-[(4-phenoxyphenyl)methyl]boranuide is F[B-](F)(F)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of trifluoro-[(4-phenoxyphenyl)methyl]boranuide?
The InChIKey is BCQIWAHBIDJXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF3O/c15-14(16,17)10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2/q-1.
What are the key properties of trifluoro-[(4-phenoxyphenyl)methyl]boranuide?
trifluoro-[(4-phenoxyphenyl)methyl]boranuide has a molecular weight of 251.04 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(4-phenoxyphenyl)methyl]boranuide is sourced from PubChem (CID 171374152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).